TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 890.441 | Formula: C48H48ClN5O8S
H donors: 2 H acceptors: 8 LogP: 8.85 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: CCCCN(C(=O)c1nn(c(c1Cl)C)c1ccc(cc1C(=O)N1CCc2c(C1)cccc2)C(=O)NS(=O)(=O)c1ccc2c(c1)c(ccc2)OCc1ccc(cc1)C(=O)O)CCCC
InChi: 1S/C48H48ClN5O8S/c1-4-6-24-52(25-7-5-2)47(57)44-43(49)31(3)54(50-44)41-22-20-36(27-40(41)46(56)53-26-23-33-11-8-9-12-37(33)29-53)45(55)51-63(60,61)38-21-19-34-13-10-14-42(39(34)28-38)62-30-32-15-17-35(18-16-32)48(58)59/h8-22,27-28H,4-7,23-26,29-30H2,1-3H3,(H,51,55)(H,58,59)
InChiKey: AMNIDGUJFSCICQ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	BCL2-like 1	Starlite/ChEMBL	References
Homo sapiens	B-cell CLL/lymphoma 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	Get druggable targets OG5_139665	All targets in OG5_139665
Echinococcus granulosus	EGFP:Bcl2 fusion protein	Get druggable targets OG5_139665	All targets in OG5_139665

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0085	0.0444	0.041
Trichomonas vaginalis	porcupine, putative	0.0085	0.0444	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0021	0.0035	0.0511
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0444	0.5
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0085	0.0444	0.041
Brugia malayi	Serotonin receptor	0.0021	0.0035	0.0511
Onchocerca volvulus		0.0021	0.0035	0.0284
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.021	0.3032
Trypanosoma cruzi	glycerol uptake protein, putative	0.0085	0.0444	1
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0444	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Leishmania major	hypothetical protein, conserved	0.0085	0.0444	1
Schistosoma mansoni	apoptosis regulator bax	0.0067	0.0324	0.053
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0444	0.0769
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0067	0.0324	0.029
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Trypanosoma cruzi	GUP1, putative	0.0085	0.0444	1
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0085	0.0444	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.002	0.0024	0.0339
Schistosoma mansoni	hypothetical protein	0.0067	0.0324	0.053
Brugia malayi	hypothetical protein	0.002	0.0024	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0112	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0085	0.0444	0.1536
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Trypanosoma cruzi	GUP1, putative	0.0085	0.0444	1
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0085	0.0444	0.041
Treponema pallidum	alginate O-acetylation protein (algI)	0.0085	0.0444	0.5
Onchocerca volvulus		0.0034	0.0117	0.2223
Trypanosoma brucei	glycerol uptake protein, putative	0.0085	0.0444	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0021	0.0035	0.0022
Brugia malayi	Dopamine receptor	0.0021	0.0035	0.0511
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0021	0.0035	0.0511
Onchocerca volvulus		0.0021	0.0035	0.0284
Onchocerca volvulus		0.0021	0.0035	0.0284
Brugia malayi	putative neuropeptide receptor NPR1	0.0021	0.0035	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0085	0.0444	0.0749
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0124	0.0694	0.0661
Brugia malayi	MBOAT family protein	0.0085	0.0444	0.6396
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0085	0.0444	0.041
Leishmania major	glycerol uptake protein, putative	0.0085	0.0444	1
Toxoplasma gondii	hypothetical protein	0.0085	0.0444	0.1536
Brugia malayi	MBOAT family protein	0.0085	0.0444	0.6396
Onchocerca volvulus		0.0034	0.0117	0.2223
Onchocerca volvulus		0.0021	0.0035	0.0284
Brugia malayi	neuropeptide F receptor	0.0021	0.0035	0.0511
Brugia malayi	larval opioid receptor	0.0021	0.0035	0.0511
Onchocerca volvulus		0.0021	0.0035	0.0284
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0324	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0444	0.5
Brugia malayi	MH2 domain containing protein	0.0117	0.0646	0.9311
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Schistosoma mansoni	hypothetical protein	0.0033	0.0112	0.014
Loa Loa (eye worm)	neuropeptide F receptor	0.0021	0.0035	0.0022
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0034	0.0117	0.1685
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0021	0.0035	0.0511
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0085	0.0444	0.0769
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0067	0.0324	0.4673
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0085	0.0444	0.0749
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0021	0.0035	0.0284
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0085	0.0444	0.041
Loa Loa (eye worm)	TYRA-2 protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	G-protein coupled receptor	0.0021	0.0035	0.0022
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0085	0.0444	0.0749
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.021	0.0342
Schistosoma mansoni	sterol O-acyltransferase 1	0.0874	0.5487	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Echinococcus multilocularis	sterol O acyltransferase 1	0.0874	0.5487	0.5471
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0444	0.0769
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0021	0.0035	0.0511
Onchocerca volvulus		0.0021	0.0035	0.0284
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.158	1	1
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0085	0.0444	0.041
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0874	0.5487	1
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0085	0.0444	0.041
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0124	0.0694	0.0661
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.002	0.0024	0.0339
Brugia malayi	Melatonin receptor type 1A	0.0021	0.0035	0.0511
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0021	0.0035	0.0511
Brugia malayi	hypothetical protein	0.0025	0.0056	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Onchocerca volvulus		0.0021	0.0035	0.0284
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0085	0.0444	0.1536
Onchocerca volvulus		0.0021	0.0035	0.0284
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0085	0.0444	0.041
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0085	0.0444	0.041
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0034	0.0117	0.0171
Brugia malayi	MBOAT family protein	0.0085	0.0444	0.6396
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0021	0.0035	0.0022
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0085	0.0444	1
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0021	0.0035	0.0022
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0085	0.0444	0.041
Onchocerca volvulus		0.0021	0.0035	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0112	0.1608
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0646	0.114
Loa Loa (eye worm)	MBOAT family protein	0.0085	0.0444	0.0769
Schistosoma mansoni	hypothetical protein	0.0067	0.0324	0.053
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0085	0.0444	0.5
Brugia malayi	G-protein coupled receptor	0.0021	0.0035	0.0511
Brugia malayi	sulfakinin receptor protein	0.0021	0.0035	0.0511
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0124	0.0694	0.0661
Onchocerca volvulus		0.0021	0.0035	0.0284
Brugia malayi	putative neuropeptide receptor	0.0021	0.0035	0.0511
Onchocerca volvulus		0.0034	0.0117	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0021	0.0035	0.0022
Brugia malayi	diacylglycerol acyltransferase	0.0085	0.0444	0.6396
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0021	0.0035	0.0022
Trypanosoma cruzi	glycerol uptake protein, putative	0.0085	0.0444	1
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0034	0.0117	0.1685
Onchocerca volvulus		0.0034	0.0117	0.2223
Brugia malayi	Dopamine receptor protein 1	0.0021	0.0035	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Leishmania major	glycerol uptake protein, putative	0.0085	0.0444	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.002	0.0024	0.0339
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0124	0.0694	1
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0085	0.0444	0.041
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Brugia malayi	ORL1-like opioid receptor	0.0021	0.0035	0.0511
Onchocerca volvulus		0.0085	0.0444	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0021	0.0035	0.0022
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0085	0.0444	0.0749
Loa Loa (eye worm)	hhat protein	0.0085	0.0444	0.0769
Brugia malayi	G protein-coupled receptor	0.0021	0.0035	0.0511
Brugia malayi	hypothetical protein	0.0021	0.0035	0.0511
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0021	0.0035	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0117	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hhat protein	0.0085	0.0444	0.0769
Loa Loa (eye worm)	apoptosis regulator protein	0.0067	0.0324	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Brugia malayi	Dopamine receptor protein 2	0.0021	0.0035	0.0511
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0085	0.0444	0.5
Brugia malayi	Hhat protein	0.0085	0.0444	0.6396
Trypanosoma brucei	glycerol uptake protein, putative	0.0085	0.0444	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0085	0.0444	0.041
Loa Loa (eye worm)	hypothetical protein	0.0049	0.021	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0085	0.0444	0.041
Schistosoma mansoni	zinc finger protein	0.0085	0.0444	0.0749
Onchocerca volvulus		0.0021	0.0035	0.0284
Toxoplasma gondii	1,3-beta-glucan synthase component protein	0.042	0.2581	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Entamoeba histolytica	hypothetical protein	0.0085	0.0444	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0085	0.0444	0.041
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0124	0.0694	0.1227
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0034	0.0117	0.1685
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0085	0.0444	0.0749
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0124	0.0694	0.1208
Leishmania major	glycerol uptake protein, putative	0.0085	0.0444	1
Onchocerca volvulus		0.0021	0.0035	0.0284
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0085	0.0444	0.5
Onchocerca volvulus		0.0034	0.0117	0.2223
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0085	0.0444	0.041
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0085	0.0444	0.5
Brugia malayi	hypothetical protein	0.002	0.0024	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Brugia malayi	neuropeptide F receptor	0.0021	0.0035	0.0511
Brugia malayi	G-protein coupled receptor	0.0021	0.0035	0.0511
Schistosoma mansoni	hypothetical protein	0.0067	0.0324	0.053
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Brugia malayi	AKH receptor	0.0021	0.0035	0.0511
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0124	0.0694	0.0661
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0067	0.0324	0.053
Loa Loa (eye worm)	hypothetical protein	0.0789	0.4941	0.9001
Onchocerca volvulus		0.0021	0.0035	0.0284
Echinococcus granulosus	sterol O acyltransferase 1	0.0874	0.5487	0.5471
Onchocerca volvulus		0.0021	0.0035	0.0284
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0021	0.0035	0.0022
Onchocerca volvulus		0.0021	0.0035	0.0284
Entamoeba histolytica	vacuolar protein sorting 26	0.0085	0.0444	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Brugia malayi	GnHR receptor homolog	0.0021	0.0035	0.0511
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0835	0.5237	0.522
Onchocerca volvulus		0.0034	0.0117	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Schistosoma mansoni	hypothetical protein	0.0085	0.0444	0.0749
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0085	0.0444	0.0749
Entamoeba histolytica	hypothetical protein, conserved	0.0085	0.0444	0.5
Onchocerca volvulus		0.0021	0.0035	0.0284
Brugia malayi	Serotonin receptor	0.0021	0.0035	0.0511
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0085	0.0444	0.041
Brugia malayi	MBOAT family protein	0.0085	0.0444	0.6396
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.021	0.3032
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0835	0.5237	0.522
Brugia malayi	RE15519p	0.0021	0.0035	0.0511
Brugia malayi	MBOAT family protein	0.0085	0.0444	0.6396
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0067	0.0324	0.029
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Leishmania major	glycerol uptake protein, putative	0.0085	0.0444	1
Loa Loa (eye worm)	MBOAT family protein	0.0085	0.0444	0.0769
Trypanosoma cruzi	glycerol uptake protein, putative	0.0085	0.0444	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0444	0.0769
Brugia malayi	follicle stimulating hormone receptor	0.0021	0.0035	0.0511
Loa Loa (eye worm)	neuropeptide F receptor	0.0021	0.0035	0.0022
Onchocerca volvulus		0.0034	0.0117	0.2223
Loa Loa (eye worm)	MBOAT family protein	0.0085	0.0444	0.0769
Brugia malayi	G protein-coupled receptor F59B2.13	0.0021	0.0035	0.0511
Onchocerca volvulus		0.0021	0.0035	0.0284
Onchocerca volvulus		0.0034	0.0117	0.2223
Leishmania major	glycerol uptake protein, putative	0.0085	0.0444	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0085	0.0444	0.0769
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0021	0.0035	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0022
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0646	0.114

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 15 nM	Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay	ChEMBL.	22608961
IC50 (binding)	= 17 nM	Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis	ChEMBL.	22608961

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2031016

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1655021